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v0.2.0

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@github-actions github-actions released this 07 Jul 08:51
· 9 commits to master since this release

AtomsCalculators v0.2.0

Diff since v0.1.2

Merged pull requests:

  • Introducing the Lux model for parameters and state (#12) (@CedricTravelletti)
  • Interface re-design: state and Lux model (#22) (@CedricTravelletti)
  • CompatHelper: add new compat entry for UnitfulAtomic at version 1, (keep existing compat) (#24) (@github-actions[bot])

Closed issues:

  • Add tests that forces and virials are consistent with energy (#14)
  • @generate_interface bug : Requires AtomsCalculators.functionname (#19)
  • @generate_interface bug : cannot use args... (#20)